1,2-Dichloroethane → HCID 178489892, compound

HRID 1554794Notes

Reaction equation

HRID 1554794 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[CH2:64]([Cl:65])[CH2:66][Cl:67].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:43][CH2:44][CH2:45][NH2:46].[ClH:42].[F:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:39](=[O:40])[OH:41])[n:20][c:21]([CH:23]=[CH:24][c:25]3[cH:26][c:27]([O:37][CH3:38])[c:28](-[n:31]4[cH:32][n:33][c:34]([CH3:36])[cH:35]4)[cH:29][cH:30]3)[nH:22]2)[cH:16][cH:17]1.[Na+:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:47].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[F:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:39](=[O:41])[NH:46][CH2:45][CH2:44][Cl:43])[n:20][c:21]([CH:23]=[CH:24][c:25]3[cH:26][c:27]([O:37][CH3:38])[c:28](-[n:31]4[cH:32][n:33][c:34]([CH3:36])[cH:35]4)[cH:29][cH:30]3)[nH:22]2)[cH:16][cH:17]1

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 133692-ChloroethylamineHCID 757711-HydroxybenzotriazoleHCID 178489894HCID 178489894, compound

Product 1

HCID 178489892HCID 178489892, compound

Sources & evidence

ORD record
ord-40e9d0d6cbb94016933e4119e981e515
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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